N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide

C24H26F2N4O2 — CID 156574661

IUPACN-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide
SMILESCCOc1ccc(F)cc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCCC2)[nH]n1
InChIInChI=1S/C24H26F2N4O2/c1-2-32-23-9-7-17(26)12-19(23)21-14-18(28-29-21)15-27-24(31)20-13-16(25)6-8-22(20)30-10-4-3-5-11-30/h6-9,12-14H,2-5,10-11,15H2,1H3,(H,27,31)(H,28,29)
InChIKeyNUWGJLJPUBXGGT-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.67
Rot. Bonds7

About N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide

N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide (PubChem CID 156574661) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide
PubChem CID156574661
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC NameN-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide
SMILESCCOc1ccc(F)cc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCCC2)[nH]n1
InChIInChI=1S/C24H26F2N4O2/c1-2-32-23-9-7-17(26)12-19(23)21-14-18(28-29-21)15-27-24(31)20-13-16(25)6-8-22(20)30-10-4-3-5-11-30/h6-9,12-14H,2-5,10-11,15H2,1H3,(H,27,31)(H,28,29)
InChIKeyNUWGJLJPUBXGGT-UHFFFAOYSA-N
XLogP4.67
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide (CID 156574661) is N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide is CCOc1ccc(F)cc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCCC2)[nH]n1.
What is the InChIKey of N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide?
The InChIKey is NUWGJLJPUBXGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-2-32-23-9-7-17(26)12-19(23)21-14-18(28-29-21)15-27-24(31)20-13-16(25)6-8-22(20)30-10-4-3-5-11-30/h6-9,12-14H,2-5,10-11,15H2,1H3,(H,27,31)(H,28,29).
What are the key properties of N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide?
N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide has a molecular weight of 440.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 156574661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).